CID 165027862

C364H340N4O7 — CID 165027862

IUPAC—
SMILESCCCCCCCC1(CCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc5c(cc3-4)C3(c4ccccc4-c4ccccc43)c3ccc4oc6ccccc6c4c3-5)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccccc2C1(CCCCCCC)CCCCCCC.CCCCCCCC1(CCCCCCC)c2cc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)c5oc6ccccc6c5c3-4)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc5c(cc3-4)C(c3ccccc3)(c3ccccc3)c3ccc4oc6ccccc6c4c3-5)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccccc2C1(CCCCCCC)CCCCCCC.CCCCCCCC1(CCCCCCC)c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc5c(cc3-4)C(c3ccccc3)(c3ccccc3)c3ccc4oc6ccccc6c4c3-5)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccccc2C1(CCCCCCC)CCCCCCC
InChIInChI=1S/C131H121NO3.C122H114N2O2.C111H105NO2/c1-7-11-15-19-46-76-128(77-47-20-16-12-8-2)104-64-42-38-60-95(104)119-121-100-63-41-45-67-114(100)135-126(121)122-97-73-70-92(81-107(97)129(124(122)123(119)128,78-48-21-17-13-9-3)79-49-22-18-14-10-4)132(91-69-72-96-106(80-91)127(5,6)111-83-101(86-50-28-23-29-51-86)125-120(116(96)111)99-62-40-44-66-113(99)134-125)93-68-71-94-102-84-110-103(85-109(102)131(108(94)82-93,89-56-34-26-35-57-89)90-58-36-27-37-59-90)117-105(74-75-115-118(117)98-61-39-43-65-112(98)133-115)130(110,87-52-30-24-31-53-87)88-54-32-25-33-55-88;1-5-9-13-17-44-74-119(75-45-18-14-10-6-2)100-62-40-36-59-93(100)113-114-96-61-39-43-65-109(96)126-118(114)115-94-70-67-89(79-102(94)120(117(115)116(113)119,76-46-19-15-11-7-3)77-47-20-16-12-8-4)123(88-68-72-107-98(78-88)92-58-37-41-63-106(92)124(107)87-56-34-25-35-57-87)90-66-69-91-97-81-105-99(82-104(97)122(103(91)80-90,85-52-30-23-31-53-85)86-54-32-24-33-55-86)111-101(71-73-110-112(111)95-60-38-42-64-108(95)125-110)121(105,83-48-26-21-27-49-83)84-50-28-22-29-51-84;1-6-10-14-18-36-64-108(65-37-19-15-11-7-2)87-47-29-26-44-81(87)102-103-84-46-28-35-53-98(84)114-107(103)104-82-61-59-74(68-93(82)109(106(104)105(102)108,66-38-20-16-12-8-3)67-39-21-17-13-9-4)112(73-56-54-72(5)55-57-73)75-58-60-80-85-70-96-86(71-95(85)111(94(80)69-75)90-50-32-24-42-78(90)79-43-25-33-51-91(79)111)100-92(62-63-99-101(100)83-45-27-34-52-97(83)113-99)110(96)88-48-30-22-40-76(88)77-41-23-31-49-89(77)110/h23-45,50-75,80-85H,7-22,46-49,76-79H2,1-6H3;21-43,48-73,78-82H,5-20,44-47,74-77H2,1-4H3;22-35,40-63,68-71H,6-21,36-39,64-67H2,1-5H3
InChIKeyMEFAJDDCRBRSCK-UHFFFAOYSA-N
MW4882.74 g/mol
LogP104.21
Rot. Bonds91

About CID 165027862

CID 165027862 (PubChem CID 165027862) has the molecular formula C364H340N4O7 and a molecular weight of 4882.74 g/mol.

Molecular Properties

Compound NameCID 165027862
PubChem CID165027862
Molecular FormulaC364H340N4O7
Molecular Weight4882.74 g/mol
Exact Mass4878.64
IUPAC Name—
SMILESCCCCCCCC1(CCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc5c(cc3-4)C3(c4ccccc4-c4ccccc43)c3ccc4oc6ccccc6c4c3-5)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccccc2C1(CCCCCCC)CCCCCCC.CCCCCCCC1(CCCCCCC)c2cc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)c5oc6ccccc6c5c3-4)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc5c(cc3-4)C(c3ccccc3)(c3ccccc3)c3ccc4oc6ccccc6c4c3-5)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccccc2C1(CCCCCCC)CCCCCCC.CCCCCCCC1(CCCCCCC)c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc5c(cc3-4)C(c3ccccc3)(c3ccccc3)c3ccc4oc6ccccc6c4c3-5)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccccc2C1(CCCCCCC)CCCCCCC
InChIInChI=1S/C131H121NO3.C122H114N2O2.C111H105NO2/c1-7-11-15-19-46-76-128(77-47-20-16-12-8-2)104-64-42-38-60-95(104)119-121-100-63-41-45-67-114(100)135-126(121)122-97-73-70-92(81-107(97)129(124(122)123(119)128,78-48-21-17-13-9-3)79-49-22-18-14-10-4)132(91-69-72-96-106(80-91)127(5,6)111-83-101(86-50-28-23-29-51-86)125-120(116(96)111)99-62-40-44-66-113(99)134-125)93-68-71-94-102-84-110-103(85-109(102)131(108(94)82-93,89-56-34-26-35-57-89)90-58-36-27-37-59-90)117-105(74-75-115-118(117)98-61-39-43-65-112(98)133-115)130(110,87-52-30-24-31-53-87)88-54-32-25-33-55-88;1-5-9-13-17-44-74-119(75-45-18-14-10-6-2)100-62-40-36-59-93(100)113-114-96-61-39-43-65-109(96)126-118(114)115-94-70-67-89(79-102(94)120(117(115)116(113)119,76-46-19-15-11-7-3)77-47-20-16-12-8-4)123(88-68-72-107-98(78-88)92-58-37-41-63-106(92)124(107)87-56-34-25-35-57-87)90-66-69-91-97-81-105-99(82-104(97)122(103(91)80-90,85-52-30-23-31-53-85)86-54-32-24-33-55-86)111-101(71-73-110-112(111)95-60-38-42-64-108(95)125-110)121(105,83-48-26-21-27-49-83)84-50-28-22-29-51-84;1-6-10-14-18-36-64-108(65-37-19-15-11-7-2)87-47-29-26-44-81(87)102-103-84-46-28-35-53-98(84)114-107(103)104-82-61-59-74(68-93(82)109(106(104)105(102)108,66-38-20-16-12-8-3)67-39-21-17-13-9-4)112(73-56-54-72(5)55-57-73)75-58-60-80-85-70-96-86(71-95(85)111(94(80)69-75)90-50-32-24-42-78(90)79-43-25-33-51-91(79)111)100-92(62-63-99-101(100)83-45-27-34-52-97(83)113-99)110(96)88-48-30-22-40-76(88)77-41-23-31-49-89(77)110/h23-45,50-75,80-85H,7-22,46-49,76-79H2,1-6H3;21-43,48-73,78-82H,5-20,44-47,74-77H2,1-4H3;22-35,40-63,68-71H,6-21,36-39,64-67H2,1-5H3
InChIKeyMEFAJDDCRBRSCK-UHFFFAOYSA-N
XLogP104.21
TPSA106.63 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds91
Heavy Atoms375
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004882.74
LogP ≤ 5104.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

CID 164990981
CID 164990981
N-[14,14-dimethyl-11-(9-phenylcarbazol-3-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-(14,14-dimethyl-11-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine;11-phenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-N-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine
CID 163832802
18,18,21,21-tetramethyl-N-(18,18,21,21-tetraheptyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-N-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 146439795
18,18,21,21-tetraheptyl-N-phenyl-N-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 146439902
N-dibenzofuran-3-yl-18,18,21,21-tetraheptyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine;N-dibenzofuran-4-yl-18,18,21,21-tetraheptyl-N-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine;18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164979440
N-dibenzofuran-2-yl-18,18,21,21-tetraheptyl-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine;N-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-18,18,21,21-tetraheptyl-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine;18,18,21,21-tetraheptyl-N-(4-methylphenyl)-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
CID 165034057
N-(4-tert-butylphenyl)-18,18,21,21-tetraheptyl-N-(15,15,25,25-tetraphenyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine;1-N,1-N-diphenyl-4-N-(18,18,21,21-tetraheptyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)-4-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)benzene-1,4-diamine;18,18,21,21-tetraheptyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164990883
CID 164754696
CID 164754696
N-[11-[4-[7-(9,9-diheptylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-14,14-dimethyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-N-(4-methylphenyl)-15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-amine
CID 163773388
N-(9,9-dimethylfluoren-2-yl)-18,18,21,21-tetraheptyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 164754671
CID 146439574
CID 146439574
18,18,21,21-tetraheptyl-N-(4-phenylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
CID 146439644

Frequently Asked Questions

What is the IUPAC name of CID 165027862?
The IUPAC name of CID 165027862 (CID 165027862) is not available.
What is the SMILES notation for CID 165027862?
The canonical SMILES for CID 165027862 is CCCCCCCC1(CCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc5c(cc3-4)C3(c4ccccc4-c4ccccc43)c3ccc4oc6ccccc6c4c3-5)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccccc2C1(CCCCCCC)CCCCCCC.CCCCCCCC1(CCCCCCC)c2cc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)c5oc6ccccc6c5c3-4)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc5c(cc3-4)C(c3ccccc3)(c3ccccc3)c3ccc4oc6ccccc6c4c3-5)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccccc2C1(CCCCCCC)CCCCCCC.CCCCCCCC1(CCCCCCC)c2cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc5c(cc3-4)C(c3ccccc3)(c3ccccc3)c3ccc4oc6ccccc6c4c3-5)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2c1c1c(c3c2oc2ccccc23)-c2ccccc2C1(CCCCCCC)CCCCCCC.
What is the InChIKey of CID 165027862?
The InChIKey is MEFAJDDCRBRSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C131H121NO3.C122H114N2O2.C111H105NO2/c1-7-11-15-19-46-76-128(77-47-20-16-12-8-2)104-64-42-38-60-95(104)119-121-100-63-41-45-67-114(100)135-126(121)122-97-73-70-92(81-107(97)129(124(122)123(119)128,78-48-21-17-13-9-3)79-49-22-18-14-10-4)132(91-69-72-96-106(80-91)127(5,6)111-83-101(86-50-28-23-29-51-86)125-120(116(96)111)99-62-40-44-66-113(99)134-125)93-68-71-94-102-84-110-103(85-109(102)131(108(94)82-93,89-56-34-26-35-57-89)90-58-36-27-37-59-90)117-105(74-75-115-118(117)98-61-39-43-65-112(98)133-115)130(110,87-52-30-24-31-53-87)88-54-32-25-33-55-88;1-5-9-13-17-44-74-119(75-45-18-14-10-6-2)100-62-40-36-59-93(100)113-114-96-61-39-43-65-109(96)126-118(114)115-94-70-67-89(79-102(94)120(117(115)116(113)119,76-46-19-15-11-7-3)77-47-20-16-12-8-4)123(88-68-72-107-98(78-88)92-58-37-41-63-106(92)124(107)87-56-34-25-35-57-87)90-66-69-91-97-81-105-99(82-104(97)122(103(91)80-90,85-52-30-23-31-53-85)86-54-32-24-33-55-86)111-101(71-73-110-112(111)95-60-38-42-64-108(95)125-110)121(105,83-48-26-21-27-49-83)84-50-28-22-29-51-84;1-6-10-14-18-36-64-108(65-37-19-15-11-7-2)87-47-29-26-44-81(87)102-103-84-46-28-35-53-98(84)114-107(103)104-82-61-59-74(68-93(82)109(106(104)105(102)108,66-38-20-16-12-8-3)67-39-21-17-13-9-4)112(73-56-54-72(5)55-57-73)75-58-60-80-85-70-96-86(71-95(85)111(94(80)69-75)90-50-32-24-42-78(90)79-43-25-33-51-91(79)111)100-92(62-63-99-101(100)83-45-27-34-52-97(83)113-99)110(96)88-48-30-22-40-76(88)77-41-23-31-49-89(77)110/h23-45,50-75,80-85H,7-22,46-49,76-79H2,1-6H3;21-43,48-73,78-82H,5-20,44-47,74-77H2,1-4H3;22-35,40-63,68-71H,6-21,36-39,64-67H2,1-5H3.
What are the key properties of CID 165027862?
CID 165027862 has a molecular weight of 4882.74 g/mol, XLogP of 104.21, 91 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165027862 is sourced from PubChem (CID 165027862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).